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87922-44-9 | Benzene, 1-(1-methylpropyl)-3-(trifluoromethyl)-
CAS No: 87922-44-9 Catalog No: AG004DNY MDL No:
Product Description
Catalog Number:
AG004DNY
Chemical Name:
Benzene, 1-(1-methylpropyl)-3-(trifluoromethyl)-
CAS Number:
87922-44-9
Molecular Formula:
C11H13F3
Molecular Weight:
202.2161
IUPAC Name:
1-butan-2-yl-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C11H13F3/c1-3-8(2)9-5-4-6-10(7-9)11(12,13)14/h4-8H,3H2,1-2H3
InChI Key:
LQFRWKSFMWDZSZ-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.22g/mol
Monoisotopic Mass:
202.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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